SCHEMBL1264055

SCHEMBL1264055

CO[C](Cl)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 4/20 0.44
AKR1B1 P15121 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CNR2 P34972 1/20 0.41
MAPK1 P28482 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2154441 0.76 CES1 (0.48) CES2CES1ALDH1A1AKR1B1KDM4E
SCHEMBL6295378 0.76 CES2 (0.48) CES2CES1ALDH1A1AKR1B1KDM4E
SCHEMBL2700591 0.74 CES2 (0.46) CES2CES1ALDH1A1AKR1B1KDM4E
SCHEMBL66063 0.73 CES1 (0.50) CES2CES1ALDH1A1AKR1B1MEN1
SCHEMBL1870609 0.73 ALDH1A1 (0.62) CES2CES1ALDH1A1AKR1B1KDM4E
SCHEMBL13176469 0.73 ALDH1A1 (0.44) CES2CES1ALDH1A1AKR1B1KDM4E
SCHEMBL7324968 0.73 ALDH1A1 (0.45) CES2CES1ALDH1A1AKR1B1KDM4E
SCHEMBL6299815 0.73 ALDH1A1 (0.44) CES2CES1ALDH1A1AKR1B1KDM4E
Benzene SCHEMBL28096336 0.73 ALDH1A1 (0.62) CES2CES1ALDH1A1AKR1B1KDM4E
SCHEMBL16618549 0.73 ALDH1A1 (0.49) CES2CES1ALDH1A1AKR1B1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903990-B1 THERAPEUTICALLY ACTIVE OXAZOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-06-14 EP disclosed
EP-2744812-B1 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-07-20 EP disclosed
US-9382263-B2 Therapeutically active oxazoline derivatives UCB BIOPHARMA SPRL (BE) 2016-07-05 US disclosed
US-9227984-B2 Therapeutically active fused pyrimidine derivatives UCB PHARMA S.A. (BE) 2016-01-05 US disclosed
US-20150274748-A1 Therapeutically Active Oxazoline Derivatives UCB BIOPHARMA SPRL (BE) 2015-10-01 US disclosed
EP-2903990-A1 THERAPEUTICALLY ACTIVE OXAZOLINE DERIVATIVES UCB Biopharma SPRL (BE) 2015-08-12 EP disclosed
US-20140309222-A1 Therapeutically Active Fused Pyrimidine Derivatives KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-10-16 US disclosed
EP-2744812-A2 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-06-25 EP disclosed
WO-2014053581-A1 THERAPEUTICALLY ACTIVE OXAZOLINE DERIVATIVES UCB PHARMA S.A. (BE) 2014-04-10 WO disclosed
WO-2013024291-A2 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-02-21 WO disclosed
CN-101995770-A Photoresist composition SUMITOMO CHEMICAL CO 2011-03-30 CN disclosed
US-20110033804-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
US-7001706-B2 Sulfonate and a resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-21 US disclosed
US-20050014095-A1 Sulfonate and a resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150274748-A1 Therapeutically Active Oxazoline Derivatives ICOS, HAVCR2, CD74 CES2 3523/4885CES1 2275/4885ALDH1A1 199/4885
US-20140309222-A1 Therapeutically Active Fused Pyrimidine Derivatives HAVCR2, TPMT, PAICS CES2 4370/4885CES1 2632/4885ALDH1A1 1119/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.